methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate

C13H17NO2 — CID 66873389

IUPACmethyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C\C(C)C
InChIInChI=1S/C13H17NO2/c1-8(2)6-9-4-5-11-10(9)7-12(14-11)13(15)16-3/h6-8,14H,4-5H2,1-3H3/b9-6+
InChIKeyDURKGFALWRCGPM-RMKNXTFCSA-N
MW219.28 g/mol
LogP2.79
Rot. Bonds2

About methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate

methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (PubChem CID 66873389) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
PubChem CID66873389
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CC/C2=C\C(C)C
InChIInChI=1S/C13H17NO2/c1-8(2)6-9-4-5-11-10(9)7-12(14-11)13(15)16-3/h6-8,14H,4-5H2,1-3H3/b9-6+
InChIKeyDURKGFALWRCGPM-RMKNXTFCSA-N
XLogP2.79
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (CID 66873389) is methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is COC(=O)c1cc2c([nH]1)CC/C2=C\C(C)C.
What is the InChIKey of methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is DURKGFALWRCGPM-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8(2)6-9-4-5-11-10(9)7-12(14-11)13(15)16-3/h6-8,14H,4-5H2,1-3H3/b9-6+.
What are the key properties of methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 66873389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).